element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:25:32      -62.734015         0.347964
BFGS:    1 16:25:32      -62.739020         0.323143
BFGS:    2 16:25:32      -62.767198         0.043966
BFGS:    3 16:25:33      -62.767667         0.004446
BFGS:    4 16:25:33      -62.767672         0.000045
BFGS:    5 16:25:33      -62.767672         0.000000
BFGS:    6 16:25:34      -62.767672         0.000000
Minimization converged after 6 steps.
Maximum force component: 6.887978994607455e-32 eV/Angstrom
Maximum stress component: 5.6665169728181035e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 1.25704848e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.600446143827601, -2.283653172454936e-33, -4.813186596979152e-33], [5.7100765552248105e-34, 3.600446143827601, -5.444596180413235e-19], [-2.2924380955754194e-36, -5.444596180413245e-19, 3.600446143827601]])
forces =  [[-1.47929750e-32  2.79624289e-51 -1.84912188e-32]
 [-9.27329364e-66 -5.87096196e-32 -5.91719001e-32]
 [-1.10947313e-32 -4.06806813e-32  1.84912188e-32]
 [-5.91719001e-32 -3.51333157e-32  3.69824376e-32]
 [ 6.88797899e-32 -4.34543641e-32 -9.24560939e-34]
 [-1.10947313e-32 -4.16052422e-32 -4.06806813e-32]
 [ 3.32841938e-32  4.80771688e-32  2.58877063e-32]
 [-3.38130709e-66 -2.12649016e-32  1.38684141e-32]]
stress =  [ 5.66651697e-14  5.66651697e-14  5.66651697e-14  4.31852929e-30
  3.58953023e-64 -2.15867252e-65]
energy per atom =  -0.4834004843395743
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0